CID 84045109

2354145-51-8

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)CC1CCC(CC1)N

InChI

InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)9-10-5-7-11(14)8-6-10/h10-11H,5-9,14H2,1-4H3

InChIKey

UEAIMEUAWCIPAW-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-aminocyclohexyl)methyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.19943 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.206706	160.2
[M+Na]+	265.188648	162.8
[M-H]-	241.192154	163.5
[M+NH4]+	260.233253	177.6
[M+K]+	281.162588	163.1
[M+H-H2O]+	225.196690	153.9
[M+HCOO]-	287.197631	179.1
[M+CH3COO]-	301.213281	200.8
[M+Na-2H]-	263.174096	161.0
[M]+	242.19888142	157.2
[M]-	242.19997858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe